|About this Abstract
||2011 TMS Annual Meeting & Exhibition
||Bulk Metallic Glasses VIII
||Local Atomic Structure of Ca-Mg-Zn Bulk Metallic Glasses
||Oleg N. Senkov, Emma R. Barney, Yongqiang Cheng, Daniel B. Miracle, Evan Ma, Alex C Hannon
|On-Site Speaker (Planned)
||Oleg N. Senkov
Amorphous structure of ternary Ca<SUB>60</SUB>Mg<SUB>X</SUB>Zn<SUB>40-X</SUB> metallic glasses (X = 10, 15, 20, and 25 at.%) was modeled by Reverse Monte Carlo (RMC) and <I>ab initio</I> Molecular Dynamics (MD) techniques. The RMC and MD modeled structures were statistically the same and consistent with experimental neutron and X-ray diffraction data. The amorphous structure was described as a mixture of Mg and Zn centered atomic clusters, with Ca dominating in the first shell. A coordination number (CN) of 10 (with about 7 Ca and 3 (Mg+Zn) atoms) was most common for the Zn-centered clusters. CN = 11 and 12 (with about 7-8 Ca and 4 (Mg+Zn) atoms) were most common for Mg-centered clusters. Analysis of the neighbor environment and bond angle distributions suggested near-equilateral triangles and pentagonal bipyramids to be the most common nearest atom configurations. The results were compared with recently proposed cluster packing models.